5U3L

Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 670-683 Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-08
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	110.072, 75.644, 123.427
Unit cell angles	90.00, 94.11, 90.00

Refinement procedure

Resolution	42.510 - 2.165
R-factor	0.2061
Rwork	0.205
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u3p
RMSD bond length	0.002
RMSD bond angle	0.554
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.510	50.000	2.230
High resolution limit [Å]	2.170	4.970	2.170
Rmerge	0.098	0.057	0.498
Rmeas	0.109
Rpim	0.045
Total number of observations	259846
Number of reflections	51031
<I/σ(I)>	8.3
Completeness [%]	93.5	99.7	52.5
Redundancy	5.1	5.7	2.6
CC(1/2)		0.997	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	20% PEG 8000, 10% PEG 400, 0.5 M NaCl, 0.1 M C2H3NaO2 pH 5.5